(2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

C20H19ClF2N4O — CID 57391360

IUPAC(2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccn2cc(Cl)nc12)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H19ClF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2
InChIKeyNVXLFLRKJMMSPG-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.27
Rot. Bonds4

About (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

(2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 57391360) has the molecular formula C20H19ClF2N4O and a molecular weight of 404.85 g/mol. Its IUPAC name is (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID57391360
Molecular FormulaC20H19ClF2N4O
Molecular Weight404.85 g/mol
Exact Mass404.12
IUPAC Name(2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccn2cc(Cl)nc12)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H19ClF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2
InChIKeyNVXLFLRKJMMSPG-UHFFFAOYSA-N
XLogP3.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (CID 57391360) is (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is O=C(c1cccn2cc(Cl)nc12)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is NVXLFLRKJMMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O/c21-18-13-27-6-1-2-16(19(27)24-18)20(28)26-10-8-25(9-11-26)7-5-14-3-4-15(22)12-17(14)23/h1-4,6,12-13H,5,7-11H2.
What are the key properties of (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
(2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 404.85 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroimidazo[1,2-a]pyridin-8-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 57391360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).